Focused On-demand Library for Ubiquitin-like protein ISG15

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the target protein, both isolated and in complex with key partner proteins, complemented by ensemble virtual screening that accounts for conformational mobility in the unbound and complex states. The tentative binding sites are explored on the protein-protein interaction interface and at remote allosteric locations, encompassing the entire spectrum of potential mechanisms of action.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P05161

UPID:

ISG15_HUMAN

Alternative names:

Interferon-induced 15 kDa protein; Interferon-induced 17 kDa protein; Ubiquitin cross-reactive protein

Alternative UPACC:

P05161; Q5SVA4; Q7Z2G2; Q96GF0

Background:

Ubiquitin-like protein ISG15, also known as Interferon-induced 15 kDa protein, plays a pivotal role in the innate immune response to viral infection. It functions through ISGylation, a process involving the conjugation of ISG15 to target proteins, enhancing the immune system's ability to combat a variety of viruses, including influenza A, HIV-1, and Ebola virus. Additionally, ISG15's secreted form acts as a cytokine, promoting natural killer cell proliferation and neutrophil chemotaxis.

Therapeutic significance:

Given its crucial role in antiviral defense and antimycobacterial immunity, targeting Ubiquitin-like protein ISG15 presents a promising avenue for developing treatments against diseases like Immunodeficiency 38, with basal ganglia calcification. Understanding the role of Ubiquitin-like protein ISG15 could open doors to potential therapeutic strategies.